Emilia Sicilia

Arcavacata, 87036, Italy

Last Updated: 09/26/2026

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Found 90 publications

DFT Insights on Ligand Photodissociation Pathways in Ruthenium-Terpyridine Complexes: 3MLCT- or 3MC-Triggered?

DFT Insights on Ligand Photodissociation Pathways in Ruthenium-Terpyridine Complexes: 3MLCT- or 3MC-Triggered?

Journal: Inorganic chemistry

Published: April 22, 2026

Molecular Dynamics Simulation of Passive Diffusion across a Human Breast Cancer Cell Membrane Model. Comparison between Cisplatin and Its Pt(IV) Derivatives.

Molecular Dynamics Simulation of Passive Diffusion across a Human Breast Cancer Cell Membrane Model. Comparison between Cisplatin and Its Pt(IV) Derivatives.

Journal: Journal of chemical information and modeling

Published: March 06, 2026

Ruthenium or osmium? On the role of the metal in carbonylchlorido complexes for photodynamic therapy.

Ruthenium or osmium? On the role of the metal in carbonylchlorido complexes for photodynamic therapy.

Journal: Chemical communications (Cambridge, England)

Published: January 21, 2026

Photophysical Properties of a Mn(I) Tricarbonyl PhotoCORM With 8-Aminoquinoline Ligand: Insights From Theory.

Photophysical Properties of a Mn(I) Tricarbonyl PhotoCORM With 8-Aminoquinoline Ligand: Insights From Theory.

Journal: Journal of computational chemistry

Published: November 17, 2025

Excited-State Cis and Trans Pt(IV) Diamine Anticancer Complexes.

Excited-State Cis and Trans Pt(IV) Diamine Anticancer Complexes.

Journal: Inorganic chemistry

Published: May 28, 2025

Investigation of simvastatin and fluvastatin permeation across cell membrane models using molecular dynamics simulations.

Investigation of simvastatin and fluvastatin permeation across cell membrane models using molecular dynamics simulations.

Journal: The Journal of chemical physics

Published: May 15, 2025

Unveiling the Potential of Sulfur-Rich Macrocyclic Chelators Against Cadmium Poisoning.

Unveiling the Potential of Sulfur-Rich Macrocyclic Chelators Against Cadmium Poisoning.

Journal: Inorganic chemistry

Published: November 30, 2024

DFT Computational Analysis of the Mechanism of Action of Ru(II) Polypyridyl Complexes as Photoactivated Chemotherapy Agents: From Photoinduced Ligand Solvolysis to DNA Binding.

DFT Computational Analysis of the Mechanism of Action of Ru(II) Polypyridyl Complexes as Photoactivated Chemotherapy Agents: From Photoinduced Ligand Solvolysis to DNA Binding.

Journal: Inorganic chemistry

Published: October 11, 2024

Prediction of Pt, Ir, Ru, and Rh complexes light absorption in the therapeutic window for phototherapy using machine learning.

Prediction of Pt, Ir, Ru, and Rh complexes light absorption in the therapeutic window for phototherapy using machine learning.

Journal: Journal of cheminformatics

Published: August 22, 2024

When Metal Complexes Evolve, and a Minor Species is the Most Active: the Case of Bis(Phenanthroline)Copper in the Catalysis of Glutathione Oxidation and Hydroxyl Radical Generation.

When Metal Complexes Evolve, and a Minor Species is the Most Active: the Case of Bis(Phenanthroline)Copper in the Catalysis of Glutathione Oxidation and Hydroxyl Radical Generation.

Journal: Angewandte Chemie (International ed. in English)

Published: August 02, 2024

Photosubstitution and photoreduction of a diazido platinum(IV) anticancer complex.

Photosubstitution and photoreduction of a diazido platinum(IV) anticancer complex.

Journal: Dalton transactions (Cambridge, England : 2003)

Published: July 19, 2024

Machine Learning-Based Prediction of Reduction Potentials for PtIV Complexes.

Machine Learning-Based Prediction of Reduction Potentials for PtIV Complexes.

Journal: Journal of chemical information and modeling

Published: April 29, 2024

Showing 1-12 of 90

Last Updated: 09/26/2026